3-amino-1-(oxan-3-yl)pyrazole-4-carboxamide

C9H14N4O2 — CID 129199436

IUPAC3-amino-1-(oxan-3-yl)pyrazole-4-carboxamide
SMILESNC(=O)c1cn(C2CCCOC2)nc1N
InChIInChI=1S/C9H14N4O2/c10-8-7(9(11)14)4-13(12-8)6-2-1-3-15-5-6/h4,6H,1-3,5H2,(H2,10,12)(H2,11,14)
InChIKeyVYEHREJQLIQPRO-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.08
Rot. Bonds2

About 3-amino-1-(oxan-3-yl)pyrazole-4-carboxamide

3-amino-1-(oxan-3-yl)pyrazole-4-carboxamide (PubChem CID 129199436) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-amino-1-(oxan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-1-(oxan-3-yl)pyrazole-4-carboxamide
PubChem CID129199436
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-amino-1-(oxan-3-yl)pyrazole-4-carboxamide
SMILESNC(=O)c1cn(C2CCCOC2)nc1N
InChIInChI=1S/C9H14N4O2/c10-8-7(9(11)14)4-13(12-8)6-2-1-3-15-5-6/h4,6H,1-3,5H2,(H2,10,12)(H2,11,14)
InChIKeyVYEHREJQLIQPRO-UHFFFAOYSA-N
XLogP-0.08
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(oxan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-amino-1-(oxan-3-yl)pyrazole-4-carboxamide (CID 129199436) is 3-amino-1-(oxan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-1-(oxan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-1-(oxan-3-yl)pyrazole-4-carboxamide is NC(=O)c1cn(C2CCCOC2)nc1N.
What is the InChIKey of 3-amino-1-(oxan-3-yl)pyrazole-4-carboxamide?
The InChIKey is VYEHREJQLIQPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-8-7(9(11)14)4-13(12-8)6-2-1-3-15-5-6/h4,6H,1-3,5H2,(H2,10,12)(H2,11,14).
What are the key properties of 3-amino-1-(oxan-3-yl)pyrazole-4-carboxamide?
3-amino-1-(oxan-3-yl)pyrazole-4-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(oxan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 129199436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).